N-(2-chlorophenyl)-6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(2-chlorophenyl)-6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-benzhydrylpiperazin-1-yl)-N-(2-chlorophenyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(2-chlorophenyl)-6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-benzhydrylpiperazin-1-yl)-N-(2-chlorophenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]-(2-chlorophenyl)amine Formula: C27H25ClN6O2 MolecularWeight: 500.9794

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=NC=N2)NC3=CC=CC=C3Cl)[N+](=O)[O-])C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=C(C(=NC=N2)NC3=CC=CC=C3Cl)[N+](=O)[O-])C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H25ClN6O2/c28-22-13-7-8-14-23(22)31-26-25(34(35)36)27(30-19-29-26)33-17-15-32(16-18-33)24(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,19,24H,15-18H2,(H,29,30,31)